Fludiazepam

Base Information

• Chemical Name: Fludiazepam
• CAS No.: 3900-31-0
• Deprecated CAS: 60918-52-7
• Molecular Formula: C16H12 Cl F N2 O
• Molecular Weight: 302.735
• Hs Code.: 2933910014
• UNII: 7F64A2K16Z
• DSSTox Substance ID: DTXSID00192277
• Nikkaji Number: J3.410J
• Wikipedia: Fludiazepam
• Wikidata: Q3486981
• NCI Thesaurus Code: C65709
• Metabolomics Workbench ID: 43569
• ChEMBL ID: CHEMBL13291
• Mol file: 3900-31-0.mol

Synonyms:1-methyl-5-(2-fluorophenyl)-7-chloro-1,3-dihydro-2H-(1,4)benzodiazepin-2-one;fludiazepam;fludiazepan;ID 540

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Chemical Property of Fludiazepam

Chemical Property:

• Vapor Pressure: 4.66E-10mmHg at 25°C
• Melting Point: 88 - 92oC
• Refractive Index: 1.624
• Boiling Point: 498.1 °C at 760 mmHg
• PKA: pKa 2.29±0.009(H2O) (Uncertain)
• Flash Point: 255.1 °C
• PSA: 32.67000
• Density: 1.32 g/cm³
• LogP: 2.79350
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 302.0622189
• Heavy Atom Count: 21
• Complexity: 442

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
• Description: Fludiazepam (Item No. 22424) is an analytical reference standard categorized as a benzodiazepine. Fludiazepam is regulated as a Schedule IV compound in the United States. This product is intended for research and forensic applications.
• Uses: Fludiazepam is a drug which is a benzodiazepine derivative. Fludiazepam possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties.
• Therapeutic Function: Anxiolytic

Technology Process of Fludiazepam

There total 2 articles about Fludiazepam which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 48.0%

7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2(2H)-one (2886-65-9) + methyl iodide (74-88-4) → fludiazepam (3900-31-0)

Guidance literature:

With sodium methylate; In toluene; at 20 ℃; for 168h;

Reference yield:

→ fludiazepam (3900-31-0)

Guidance literature:

7-Chlor-5-<2-fluor-phenyl>-1.3-dihydro-2H-1.4-benzodiazepin-2-on, 1.) Na-methylat, Methanol, 2.) Methyliodid, DMF;

Reference yield: 92.0%

fludiazepam (3900-31-0) + Acetoxyacetyl chloride (13831-31-7) → (+/-)-(1R,10bS)-1-acetyloxy-9-chloro-10b-(2-fluorophenyl)-1,5,6,10b-tetrahydro-6-methyl-2H,4H-azeto[1,2-d][1,4]benzodiazepine-2,5-dione

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2(2H)-one

methyl iodide

Refernces

• 1、 Asami,Otsuka,Hirohashi,Inaba,Yamamoto. "The synthesis and pharmacology of a novel benzodiazepine derivative, 1 methyl 5 (o fluorophenyl) 7 chloro 1,3 dihydro 2H 1,4 benzodiazepin 2 one (ID 540)". . p. 1563 - 1568. Retrieved 2007/10/05.